N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide

C9H15NO3 — CID 22712621

IUPACN-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(=O)CCO
InChIInChI=1S/C9H15NO3/c1-7(2)9(13)10-5-3-8(12)4-6-11/h11H,1,3-6H2,2H3,(H,10,13)
InChIKeyQUWUGFVGZBRIDX-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.02
Rot. Bonds6

About N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide

N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide (PubChem CID 22712621) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide
PubChem CID22712621
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC(=O)CCO
InChIInChI=1S/C9H15NO3/c1-7(2)9(13)10-5-3-8(12)4-6-11/h11H,1,3-6H2,2H3,(H,10,13)
InChIKeyQUWUGFVGZBRIDX-UHFFFAOYSA-N
XLogP0.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide?
The IUPAC name of N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide (CID 22712621) is N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCC(=O)CCO.
What is the InChIKey of N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide?
The InChIKey is QUWUGFVGZBRIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(2)9(13)10-5-3-8(12)4-6-11/h11H,1,3-6H2,2H3,(H,10,13).
What are the key properties of N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide?
N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide has a molecular weight of 185.22 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3-oxopentyl)-2-methylprop-2-enamide is sourced from PubChem (CID 22712621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).